The influence of volume fraction of amorphous phase on corrosion resistance of Mg67Zn 29Ca 4 alloy

The aim of this study was to investigate the structure and corrosion resistance of amorphous, amorphous‐crystalline, and crystalline Mg₆₇Zn₂₉Ca₄ alloy for biodegradable applications. This paper presents a preparation method and results of the structural characterization and corrosion resistance analysis of the material. Samples were prepared in the form of 3 mm diameter rods. The structure of the alloy was examined with the use of X‐ray diffractometry and scanning electron microscopy. The thermal properties of the samples were examined with differential scanning calorimetry (DSC). Results of DSC analysis were used to determine heat treatment temperatures, allowing to obtain different fractures of crystalline phase in the material. Corrosion resistance of heat‐treated samples was investigated by immersion tests and electrochemical measurements performed in the simulated body fluid. The X‐ray diffraction results confirmed that the prepared Mg₆₇Zn₂₉Ca₄ alloy's structure is fully amorphous. After heat treatment, samples with different fractions of amorphous phase in the structure were obtained. Immersion tests of the samples showed that the structure significantly influenced corrosion resistance in examined materials. It should be pointed out, that certain amounts of crystalline phase in amorphous matrix can greatly improve the corrosion resistance of Mg₆₇Zn₂₉Ca₄ alloy.     

Supramolecular Glyco‐nanoparticles Toward Immunological Applications

Glyco‐mimicking nanoparticles (glyco‐NPs) with Förster resonance energy transfer (FRET) donor and acceptor groups formed via dynamic covalent bond of benzoboroxole and sugar from two complementary polymers are prepared. The glyco‐NPs are proved to be quite stable under physiological conditions but sensitive to pH. So the glyco‐NPs can be internalized by dendritic cells with integrity and nontoxicity and then dissociate within the acidic organelles. This particle dissociation is directly observed and visualized in vitro, for the first time via the FRET measurements and fluorescent microscopy. This feature makes controlled release of drug or protein by glyco‐NPs possible, i.e., when model antigen Ovalbumin is loaded in the glyco‐NPs, the released Ovalbumin in dendritic cells stimulates T cells more efficiently than the free Ovalbumin itself as a result of the enhanced antigen processing and presentation. Thus, the results enlighten a bright future of the glyco‐NPs in immunotherapy.     

Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

Experimental and numerical study on compressive performance of perforated brick masonry after fire exposure

This paper discusses the compressive performance of perforated brick masonry after fire exposure. Compressive strength tests of the mortar, clay perforated brick, and perforated brick masonry specimens were performed in accordance with ISO834 fire tests of different durations. The temperature distribution of the masonry materials and specimens was simulated using the finite element software ABAQUS, with the thermal parameters of masonry materials recommended by European standard Eurocode 6 and related literature. The compressive strength reduction factors of mortar and clay perforated brick exposed to different fire durations were calculated via the layered method suggested by European standard Eurocode 1. In addition, the compressive strength reduction factors after cooldown were obtained from the experimental data of the masonry materials, and by considering further reductions in the compressive strength after cooling from high temperatures. Experimental data of the masonry specimens were compared with the numerical results obtained using the reduction factors proposed in this work. The comparison revealed an overall acceptable approximation. Thus, the method presented in this paper can be used to evaluate the residual capacity of masonry structures after fire.     

Role of Co in formation of Ni-Ti clusters in maraging stainless steel

The effect of Co addition on the formation of Ni-Ti clusters in maraging stainless steel was studied by three dimensional atom probe (3DAP) and first-principles calculation. The cluster analysis based on the maximum separation approach showed an increase in size but a decrease in density of Ni-Ti clusters with increasing the Co content. The first-principles calculation indicated weaker Co-Ni (Co-Ti) interactions than Co-Ti (Fe-Ti) interactions, which should be the essential reason for the change of distribution characteristics of Ni-Ti clusters in bcc Fe caused by Co addition.     

金属配合物与核酸作用机理的理论计算

通过计算机模拟金属配合物与核酸作用机理,对其理论模型能量计算和结构优化。在不同的化学环境条件下得到不同的实验模拟结果,对真实的化学反应过程有重要的指导意义和参考意义。通过Gaussian03,Gauss View等软件的结合应用,分别应用于优化计算和理论建模,熟悉了对化学软件操作应用。     

Corrosion behavior of Cu–Sn bronze alloys in simulated archeological soil media

The corrosion behavior of synthetic Cu–Sn bronze alloys with six different Sn contents was examined through an electrochemical test and a synthetic test in a simulated corrosive medium. The mechanism of corrosion and the morphology of the corroded surfaces were characterized through field emission scanning electron microscopy equipped with energy-dispersive spectroscopy. At the corrosion potential, the corrosion behavior appears to be determined by the charge transfer step and the diffusion process. It was found that the bronze-IV (Cu–26.8Sn) specimen exhibited the best corrosion resistance, as evidenced by a low corrosion current density and a high impedance. This improvement resulted from an increase in the content of the Cu–Sn solid solution in the alloy, which was conducive to forming a relatively more protective passive film on the surface of the bronze alloy. This finding would be valuable in the anticorrosion protection of archeological artefacts after their excavation.     

动态高压微射流处理对方竹笋膳食纤维理化及结构特性的影响

以方竹笋中提取的膳食纤维为研究对象，采用动态高压微射流（dynamic high-pressure micro-fluidization, DHPM）在不同压力条件（0，50，100，150，200 MPa）下进行处理，探究其对竹笋膳食纤维（bamboo shoots dietary fiber, BSDF）理化和结构特性的影响。结果表明，随着处理压力的增大，BSDF粒径先增大后减小，当处理压力为150 MPa时，粒径最小，为（370±11） nm，此条件下BSDF的持水力、持油力和膨胀力达到最大，较对照组分别提高了47.74%，50.54%，61.27%，且差异显著（P<0.05）。红外光谱分析表明DHPM处理不会改变BSDF的官能团，但会使BSDF内部的部分氢键断裂和半纤维素、木质素等发生降解；X射线衍射和热重分析表明DHPM处理不会引起BSDF的晶体结构改变，但晶体有序度会下降，进而导致其热稳定性降低；微观结构分析显示DHPM处理会使BSDF颗粒尺寸减小、表面粗糙、组织松散，且当处理压力为200 MPa时，颗粒发生团聚。综上，DHPM可以有效改善BSDF的理化性质，在膳食纤维改性方面具有一定的应用价值。